Geometry & MOs

Info

ID:	306473
PubChem CID:	125081924
Reduced:	ClSN3O4C25H34 (1)
Stoich.:	ABC3D4E25F34 (1)
Weight, g/mol:	599.14534
ΔH_f, kcal/mol:	-158.96
Dipole, Da:	3.86
IP(EA), eV:	-9.56(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[benzyl-[2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-tert-butylpropanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@H](CC)N(CCC1=CC=CC=C1)C(=O)CN(C2=CC=CC=C2Cl)S(=O)(=O)C

DOS

IR

Vibrations