Geometry & MOs

Info

ID:	325684
PubChem CID:	126684480
Reduced:	NH10C11 (2)
Stoich.:	AB10C11 (2)
Weight, g/mol:	870.587051
ΔH_f, kcal/mol:	65.79
Dipole, Da:	2.53
IP(EA), eV:	-8.83(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[amino(ethoxymethyl)amino]-1-[3-[5-hexadecyl-1-(2-methyl-1-phenylpropan-2-yl)-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrol-3-yl]-3-methylbutan-2-yl]-5-phenyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C2C(=CC=C1)C(=C(C=N2)C3=C(C4=C(C(=C3)C)N=CC=C4)C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C2C(=CC=C1)C(=C(C=N2)C3=C(C4=C(C(=C3)C)N=CC=C4)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):