Geometry & MOs

Info

ID:	194176
PubChem CID:	78493963
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	364.145678
ΔH_f, kcal/mol:	-191.21
Dipole, Da:	4.85
IP(EA), eV:	-8.87(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-oxo-2-[2-oxo-2-(4-propylphenyl)ethyl]sulfanyl-1,3-diazinan-4-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2NC(CC(=O)N2)CC(=O)OC)C

DOS

IR

Vibrations