Geometry & MOs

Info

ID:	330487
PubChem CID:	127247894
Reduced:	SN4O4C11H22 (1)
Stoich.:	AB4C4D11E22 (1)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	-175.24
Dipole, Da:	9.1
IP(EA), eV:	-8.69(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-4-(1-propylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)C(=O)CNS(=O)(=O)C)C

DOS

IR

Vibrations