Geometry & MOs

Info

ID:	123615
PubChem CID:	50855682
Reduced:	N2O2H11C12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	394.109962
ΔH_f, kcal/mol:	-73.51
Dipole, Da:	5.5
IP(EA), eV:	-8.54(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C\C3=CN(C=C3)C4=CC=C(C=C4)OC)/NC2=O

DOS

IR

Vibrations