Geometry & MOs

Info

ID:	376168
PubChem CID:	134222173
Reduced:	BrOSN2Cl3F3H19C21 (1)
Stoich.:	ABCD2E3F3G19H21 (1)
Weight, g/mol:	220.05964
ΔH_f, kcal/mol:	-148.17
Dipole, Da:	3.95
IP(EA), eV:	-8.79(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(aminomethylidene)-N'-(4-formyl-2-nitrophenyl)methanimidamide

Drug info:

PubChemData

Smile

CCC(=S)N(C)NC(C1=C(C=C(C=C1)/C=C/C(C2=CC(=C(C(=C2)Cl)Cl)Cl)C(F)(F)F)Br)O

DOS

IR

Vibrations