Geometry & MOs

Info

ID:

329481

PubChem CID:

126737318

Reduced:

SF2O4N5C32H37 (1)

Stoich.:

AB2C4D5E32F37 (1)

Weight, g/mol:

541.195917

ΔHf, kcal/mol:

-166.39

Dipole, Da:

2.92

IP(EA), eV:

 -8.61(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclohexyl-2-[[5-(difluoromethyl)thiophene-2-carbonyl]amino]-1-[3-(prop-2-enoylamino)cyclobutyl]benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](COCCOC)NCC1=CC2=C(C=C1)N(C(=N2)NC(=O)C3=CC=C(S3)C(F)F)C4=CC=CC(=C4)NC(=O)C=C

DOS

IR

Vibrations