Geometry & MOs

Info

ID:	80097
PubChem CID:	49832925
Reduced:	ClOS2N6H15C21 (1)
Stoich.:	ABC2D6E15F21 (1)
Weight, g/mol:	502.22162
ΔH_f, kcal/mol:	144.01
Dipole, Da:	5.21
IP(EA), eV:	-9.28(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-5-[[(3S)-7-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-3-yl]amino]-2,3-dihydro-1-benzofuran-2-yl]acetic acid

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=CC=C(S1)C2=NN=C(O2)CSC3=NN=C(N3C4=CC=CC=C4Cl)C5=CC=NC=C5

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=CC=C(S1)C2=NN=C(O2)CSC3=NN=C(N3C4=CC=CC=C4Cl)C5=CC=NC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):