Geometry & MOs

Info

ID:	34249
PubChem CID:	7890494
Reduced:	ClN2O3H21C24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	420.12407
ΔH_f, kcal/mol:	-68.58
Dipole, Da:	3.19
IP(EA), eV:	-7.96(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)NC(=O)[C@@H](C)OC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C41

DOS

IR

Vibrations