Geometry & MOs

Info

ID:	330523
PubChem CID:	127247930
Reduced:	SN3O3C14H19 (1)
Stoich.:	AB3C3D14E19 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-99.75
Dipole, Da:	9.34
IP(EA), eV:	-9.32(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-methyl-4-(4-methylbenzoyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)NC)C(=O)C2=CSC=C2

DOS

IR

Vibrations