Geometry & MOs

Info

ID:	169030
PubChem CID:	75056438
Reduced:	NC15H27 (1)
Stoich.:	AB15C27 (1)
Weight, g/mol:	520.073882
ΔH_f, kcal/mol:	-21.87
Dipole, Da:	1.43
IP(EA), eV:	-8.4(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1CC(C(N2C1CCC2)CC=C)C

DOS

IR

Vibrations