Geometry & MOs

Info

ID:	330546
PubChem CID:	127247953
Reduced:	SN3O3C15H23 (1)
Stoich.:	AB3C3D15E23 (1)
Weight, g/mol:	327.136511
ΔH_f, kcal/mol:	-107.74
Dipole, Da:	1.63
IP(EA), eV:	-8.85(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-methylsulfonyl-4-(pyrimidin-5-ylmethyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)S(=O)(=O)C)CC2=CC=CC=C2

DOS

IR

Vibrations