Geometry & MOs

Info

ID:	59471
PubChem CID:	24875016
Reduced:	N6O8C17H24 (1)
Stoich.:	A6B8C17D24 (1)
Weight, g/mol:	458.198777
ΔH_f, kcal/mol:	-280.46
Dipole, Da:	15.96
IP(EA), eV:	-9.97(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-2-methylsulfonyl-1H-imidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N.C(=C\C(=O)O)\C(=O)O

DOS

IR

Vibrations