Geometry & MOs

Info

ID:	235596
PubChem CID:	92710128
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	362.163043
ΔH_f, kcal/mol:	-64.81
Dipole, Da:	6.72
IP(EA), eV:	-8.75(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(3R)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@H](CC(=O)NC2=CC=C(C=C2)C(=O)OC)N3C=CC=C3

DOS

IR

Vibrations