Geometry & MOs

Info

ID:	415600
PubChem CID:	135088599
Reduced:	O6N10C35H50 (1)
Stoich.:	A6B10C35D50 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-219.02
Dipole, Da:	5.46
IP(EA), eV:	-8.89(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[1-(2-hydroxyethyl)benzimidazol-2-yl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C)CC4=CC=CC=C4

DOS

IR

Vibrations