Geometry & MOs

Info

ID:	128980
PubChem CID:	51065010
Reduced:	SN3O6C16H21 (1)
Stoich.:	AB3C6D16E21 (1)
Weight, g/mol:	337.088498
ΔH_f, kcal/mol:	-163.99
Dipole, Da:	7.1
IP(EA), eV:	-8.83(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(benzenesulfonyl)-1-benzylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C(CCSC)NC(=O)CCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations