Geometry & MOs

Info

ID:

326065

PubChem CID:

126686323

Reduced:

O4N5C23H29 (1)

Stoich.:

A4B5C23D29 (1)

Weight, g/mol:

482.135698

ΔHf, kcal/mol:

-134.63

Dipole, Da:

3.73

IP(EA), eV:

 -9.43(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-chloro-3-[[1,3-dioxo-2-[(1R,2S)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NC(=O)N2CCN3[C@@H](C2)C(=O)N(C3=O)[C@H]4C[C@@H]4C5=CC=CC=C5

DOS

IR

Vibrations