Geometry & MOs

Info

ID:	240178
PubChem CID:	93576516
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-70.46
Dipole, Da:	5.22
IP(EA), eV:	-9.19(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)CN1C2=CC=CC=C2N=C1CCCNC(=O)C3=CC=CO3

DOS

IR

Vibrations