Geometry & MOs

Info

ID:

223919

PubChem CID:

85335781

Reduced:

N10O10C31H56 (1)

Stoich.:

A10B10C31D56 (1)

Weight, g/mol:

729.406562

ΔHf, kcal/mol:

-505.47

Dipole, Da:

9.75

IP(EA), eV:

 -9.53(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3-pent-1-ynylphenyl)methylamino]methyl 3-amino-3-(3,5-difluorophenyl)-2-[[3-(dipropylcarbamoyl)-5-methylbenzoyl]amino]-2-propylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations