Geometry & MOs

Info

ID:	393597
PubChem CID:	135021178
Reduced:	ClNO3H18C23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	506.21409
ΔH_f, kcal/mol:	-46.68
Dipole, Da:	5.07
IP(EA), eV:	-9.22(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(4S)-4-hydroxy-1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations