Geometry & MOs

Info

ID:	419563
PubChem CID:	135108420
Reduced:	SO5N7C30H39 (1)
Stoich.:	AB5C7D30E39 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-154.65
Dipole, Da:	5.64
IP(EA), eV:	-8.7(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-(4-methoxyanilino)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC[C@H]1CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(C)C)C)C(=O)C3=CN4C=CSC4=N3

DOS

IR

Vibrations