Geometry & MOs

Info

ID:	33561
PubChem CID:	7886980
Reduced:	OS2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	378.113961
ΔH_f, kcal/mol:	14.1
Dipole, Da:	2.98
IP(EA), eV:	-8.67(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-difluorophenyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations