Geometry & MOs

Info

ID:	135189
PubChem CID:	51831476
Reduced:	SN3O6C23H29 (1)
Stoich.:	AB3C6D23E29 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-208.59
Dipole, Da:	11.06
IP(EA), eV:	-9.59(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1S)-2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)[C@@H](C2=CC=CO2)N(C(=O)[C@@H]3CCC(=O)N3)C(C)(C)C

DOS

IR

Vibrations