Geometry & MOs

Info

ID:

186893

PubChem CID:

77501389

Reduced:

N3O8C33H47 (1)

Stoich.:

A3B8C33D47 (1)

Weight, g/mol:

640.3836

ΔHf, kcal/mol:

-337.75

Dipole, Da:

4.89

IP(EA), eV:

 -8.45(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[[benzyl(ethyl)carbamoyl]amino]-4-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(CC1CN(CC1NC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)C3=CC(=C(C=C3)OC)OCCCOC

DOS

IR

Vibrations