Geometry & MOs

Info

ID:	305565
PubChem CID:	124960276
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-54.74
Dipole, Da:	4.9
IP(EA), eV:	-9.5(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=NC(=CC=C2)[C@H]3CN(CCO3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations