Geometry & MOs

Info

ID:	391195
PubChem CID:	135003504
Reduced:	ClNO4H22C24 (1)
Stoich.:	ABC4D22E24 (1)
Weight, g/mol:	414.215472
ΔH_f, kcal/mol:	-101.05
Dipole, Da:	3.43
IP(EA), eV:	-8.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2R,3S)-1-ethoxy-2-methyl-3-[(4-nitrophenyl)methyl]pentyl]carbamate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1C(=C)C(CC3C4=CC=C(C=C4)Cl)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations