Geometry & MOs

Info

ID:

304792

PubChem CID:

124766178

Reduced:

N3O4C25H29 (1)

Stoich.:

A3B4C25D29 (1)

Weight, g/mol:

384.114378

ΔHf, kcal/mol:

-106.16

Dipole, Da:

2.63

IP(EA), eV:

 -8.99(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,3R,3aS,6aS)-5-ethyl-4,6-dioxo-3-phenyl-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2[C@H]([C@@]34C=C[C@@H](O3)[C@@H]([C@H]4C2=O)C(=O)NC5CC5)C(=O)NC6CCCC6

DOS

IR

Vibrations