Geometry & MOs

Info

ID:	330557
PubChem CID:	127247964
Reduced:	SN3O4C15H29 (1)
Stoich.:	AB3C4D15E29 (1)
Weight, g/mol:	319.200825
ΔH_f, kcal/mol:	-204.28
Dipole, Da:	8.36
IP(EA), eV:	-8.9(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(oxan-4-yl)-4-pyrimidin-4-yl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)S(=O)(=O)C)CC2(CCCCC2)O

DOS

IR

Vibrations