Geometry & MOs

Info

ID:	37276
PubChem CID:	8019064
Reduced:	ClON2C23H23 (1)
Stoich.:	ABC2D23E23 (1)
Weight, g/mol:	322.116486
ΔH_f, kcal/mol:	9.52
Dipole, Da:	3.72
IP(EA), eV:	-8.88(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)N[C@@H](C)C3=CC=CC=C3)Cl

DOS

IR

Vibrations