Geometry & MOs

Info

ID:	402039
PubChem CID:	135053988
Reduced:	NO4C13H23 (1)
Stoich.:	AB4C13D23 (1)
Weight, g/mol:	453.189986
ΔH_f, kcal/mol:	-219.99
Dipole, Da:	4.29
IP(EA), eV:	-10.04(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2R,3S)-1-ethoxy-3-(furan-2-yl)-2-methyl-3-(4-nitroanilino)propyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations