Geometry & MOs

Info

ID:	164647
PubChem CID:	74430728
Reduced:	O4N5C32H35 (1)
Stoich.:	A4B5C32D35 (1)
Weight, g/mol:	347.103669
ΔH_f, kcal/mol:	-119.8
Dipole, Da:	2.47
IP(EA), eV:	-8.67(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-(3-ethyl-2,6-dioxo-5-propan-2-yl-1,3-diazinane-4-carbonyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CC(C(=O)NC2CC3=C(C(NC2=O)CC(=O)NCC4=CC=CC=C4)NC5=CC=CC=C35)N)C)O

DOS

IR

Vibrations