Geometry & MOs

Info

ID:

187037

PubChem CID:

77523244

Reduced:

N4O7C37H54 (1)

Stoich.:

A4B7C37D54 (1)

Weight, g/mol:

631.419651

ΔHf, kcal/mol:

-278.09

Dipole, Da:

3.91

IP(EA), eV:

 -9.05(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(CC1CN(CC1C(C2CC2)NC(=O)NCC3=CC=CC=C3)C(=O)OC(C)(C)C)C(=O)C4=CC(=C(C=C4)OC)OCCCOC

DOS

IR

Vibrations