Geometry & MOs

Info

ID:	240104
PubChem CID:	93576150
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	406.144119
ΔH_f, kcal/mol:	-29.46
Dipole, Da:	3.12
IP(EA), eV:	-8.68(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[1-[2-(4-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2[C@@H](C)NC(=O)C4=CC=CO4

DOS

IR

Vibrations