Geometry & MOs

Info

ID:	31994
PubChem CID:	3727080
Reduced:	ClN2O7H21C23 (1)
Stoich.:	AB2C7D21E23 (1)
Weight, g/mol:	404.158351
ΔH_f, kcal/mol:	-258.83
Dipole, Da:	2.45
IP(EA), eV:	-9.44(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-3-(hydroxymethyl)-1-(4-methoxycarbonylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)C(=O)OC)(CO)C(=O)O)Cl

DOS

IR

Vibrations