Geometry & MOs

Info

ID:	186081
PubChem CID:	77388442
Reduced:	ClO3N7C22H22 (1)
Stoich.:	AB3C7D22E22 (1)
Weight, g/mol:	480.23727
ΔH_f, kcal/mol:	-40.73
Dipole, Da:	2.39
IP(EA), eV:	-8.97(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)amino]-3-[(4-methylphenyl)methyl]-2,6-dioxo-1,3,5-triazinan-1-yl]butanoate

Drug info:

PubChemData

Smile

CCN1C(=O)NC(N(C1=O)CC2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)OC4=NC(=NC=C4)N

DOS

IR

Vibrations