Geometry & MOs

Info

ID:	194171
PubChem CID:	78493594
Reduced:	NO4H21C26 (1)
Stoich.:	AB4C21D26 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	-44.38
Dipole, Da:	5.63
IP(EA), eV:	-9.25(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC(=O)C4C=CC=CC4=N3

DOS

IR

Vibrations