Geometry & MOs

Info

ID:	182654
PubChem CID:	76920201
Reduced:	O3N4C10H20 (1)
Stoich.:	A3B4C10D20 (1)
Weight, g/mol:	320.151826
ΔH_f, kcal/mol:	-114.12
Dipole, Da:	1.73
IP(EA), eV:	-9.26(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(N'-hydroxycarbamimidoyl)-N-[2-(methanesulfonamido)ethyl]cycloheptane-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations