Geometry & MOs

Info

ID:	402146
PubChem CID:	135054638
Reduced:	N2Cl3O5C16H29 (1)
Stoich.:	A2B3C5D16E29 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-304.56
Dipole, Da:	2.34
IP(EA), eV:	-9.94(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@H](CC(NC(=O)OCC(Cl)(Cl)Cl)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations