Geometry & MOs

Info

ID:	330484
PubChem CID:	127247891
Reduced:	SO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-53.84
Dipole, Da:	3.47
IP(EA), eV:	-8.92(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-4-(4-methylbenzoyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)C(=O)C2=CSC=C2)C

DOS

IR

Vibrations