Geometry & MOs

Info

ID:	193050
PubChem CID:	78337586
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-14.02
Dipole, Da:	5.88
IP(EA), eV:	-9.36(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-6-propyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC(C)N(CC1=CC2C=CC(=CC2=NC1=O)OC)C(=O)C3=CC=CO3

DOS

IR

Vibrations