Geometry & MOs

Info

ID:	349430
PubChem CID:	127275217
Reduced:	SN2O3C20H30 (1)
Stoich.:	AB2C3D20E30 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-123.89
Dipole, Da:	5.13
IP(EA), eV:	-9.38(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1,3-dimethyl-5-[2-(4-phenylazepan-1-yl)propanoyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)CN2CCCC(CC2)C3=CC=CC=C3

DOS

IR

Vibrations