Geometry & MOs

Info

ID:	404435
PubChem CID:	135066292
Reduced:	SN2O3H26C27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	518.01472
ΔH_f, kcal/mol:	-42.67
Dipole, Da:	7.46
IP(EA), eV:	-8.9(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) (3S)-3-(3-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(=O)NCC2=CC=CC=C2)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations