Geometry & MOs

Info

ID:	186532
PubChem CID:	77442758
Reduced:	ClSN4O4C35H43 (1)
Stoich.:	ABC4D4E35F43 (1)
Weight, g/mol:	419.093122
ΔH_f, kcal/mol:	-100.06
Dipole, Da:	4.87
IP(EA), eV:	-8.65(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-amino-2-(4-chlorophenyl)sulfonyl-N'-(1H-indazol-5-yliminomethylamino)-N-methylethanimidamide

Drug info:

PubChemData

Smile

CC(C)C1=CSC(=N1)C2=NC3=C(C=CC(=C3Cl)OC)C(=C2)OC4CC5C(=O)NC6CC6C=CCCCCCC(C(=O)N5C4)(C)C

DOS

IR

Vibrations