Geometry & MOs

Info

ID:	59539
PubChem CID:	24875269
Reduced:	N3O4C30H31 (1)
Stoich.:	A3B4C30D31 (1)
Weight, g/mol:	478.22162
ΔH_f, kcal/mol:	-103.51
Dipole, Da:	7.53
IP(EA), eV:	-8.68(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-yl]oxyacetic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NCC2=CC(=CO2)C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=C(C=C4C)C)C

DOS

IR

Vibrations