Geometry & MOs

Info

ID:	123578
PubChem CID:	50854900
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	380.14601
ΔH_f, kcal/mol:	-14.25
Dipole, Da:	1.75
IP(EA), eV:	-8.27(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC2=NC(=O)/C(=C\C3=CN(C=C3)C4CCCCC4)/S2

DOS

IR

Vibrations