Geometry & MOs

Info

ID:	330537
PubChem CID:	127247944
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	345.172228
ΔH_f, kcal/mol:	-78.07
Dipole, Da:	1.5
IP(EA), eV:	-9.67(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-cyclohexylsulfonyl-N-methyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)NC)C(=O)C2=CN=C(N=C2)C3CC3

DOS

IR

Vibrations