Geometry & MOs

Info

ID:	234620
PubChem CID:	92303176
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-48.45
Dipole, Da:	6.09
IP(EA), eV:	-8.86(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C2=NC3=CC=CC=C3N2)NC(=O)N

DOS

IR

Vibrations