Geometry & MOs

Info

ID:	445350
PubChem CID:	135266400
Reduced:	FNH20C21 (1)
Stoich.:	ABC20D21 (1)
Weight, g/mol:	874.40741
ΔH_f, kcal/mol:	17.58
Dipole, Da:	3.6
IP(EA), eV:	-8.28(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-[3-[2-(4-fluorophenyl)-4-formyl-1,5-dimethylpyrrol-3-yl]phenyl]piperazin-1-yl]phenyl]-3-methyl-4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]cyclohex-2-ene-1-sulfinamide

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(=CC=C1)C2=C(N(C(=C2C=C)C)C)C3=CC=C(C=C3)F

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(=CC=C1)C2=C(N(C(=C2C=C)C)C)C3=CC=C(C=C3)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):