Geometry & MOs

Info

ID:	141182
PubChem CID:	52833767
Reduced:	S2N3O4C22H22 (1)
Stoich.:	A2B3C4D22E22 (1)
Weight, g/mol:	457.112999
ΔH_f, kcal/mol:	-70.36
Dipole, Da:	5.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.065153
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[N-]S(=O)(=O)C2=C(SC=C2)C(=O)N[C@H](C)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations