Geometry & MOs

Info

ID:	186079
PubChem CID:	77388440
Reduced:	ClO4N5C24H24 (1)
Stoich.:	AB4C5D24E24 (1)
Weight, g/mol:	470.135698
ΔH_f, kcal/mol:	-94.59
Dipole, Da:	2.79
IP(EA), eV:	-8.48(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazinan-2-yl]amino]-2-methyl-1-benzofuran-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(NC(=O)N(C2=O)CCO)NC3=CC=C(C=C3)OC4=CC=C(C=C4)N)Cl

DOS

IR

Vibrations