Geometry & MOs

Info

ID:	182657
PubChem CID:	76920204
Reduced:	SN4O4C10H22 (1)
Stoich.:	AB4C4D10E22 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	-151.76
Dipole, Da:	6.7
IP(EA), eV:	-9.14(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(C(=NO)N)C(=O)NCCNS(=O)(=O)C

DOS

IR

Vibrations