Geometry & MOs

Info

ID:	234621
PubChem CID:	92303182
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-121.93
Dipole, Da:	3.56
IP(EA), eV:	-8.99(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)N[C@@H](C2=NC3=CC=CC=C3N2)C(C)C)O

DOS

IR

Vibrations