Geometry & MOs

Info

ID:	34248
PubChem CID:	7890491
Reduced:	ClN3O4H14C15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	420.12407
ΔH_f, kcal/mol:	-62.07
Dipole, Da:	4.29
IP(EA), eV:	-9.75(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC=C1)Cl)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations