Geometry & MOs

Info

ID:	297869
PubChem CID:	117635613
Reduced:	ISN4O6C27H39 (1)
Stoich.:	ABC4D6E27F39 (1)
Weight, g/mol:	370.123025
ΔH_f, kcal/mol:	-209.78
Dipole, Da:	5.99
IP(EA), eV:	-8.73(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)sulfonyl-N',3,4-triethyl-3,4-dihydropyrazole-2-carboximidamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C(=C1[C@@H](C(=O)OC)OC(C)(C)C)N3CCC(CC3)(C)OCC=C)NC(=O)OCCSI

DOS

IR

Vibrations