Geometry & MOs

Info

ID:	33567
PubChem CID:	7887017
Reduced:	O2S2N4C19H24 (1)
Stoich.:	A2B2C4D19E24 (1)
Weight, g/mol:	387.143035
ΔH_f, kcal/mol:	-59.04
Dipole, Da:	5.98
IP(EA), eV:	-8.62(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations