Geometry & MOs

Info

ID:

17661

PubChem CID:

510533

Reduced:

N4O4C16H25 (2)

Stoich.:

A4B4C16D25 (2)

Weight, g/mol:

674.375161

ΔHf, kcal/mol:

-346.92

Dipole, Da:

6.56

IP(EA), eV:

 -9.89(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

butyl (2S)-2-[[5-[2-[[4-[[(2S)-1-butoxy-4-methyl-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]ethylcarbamoyl]-1H-imidazole-4-carbonyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CCCCOC(=O)[C@H](CC(C)C)NC(=O)C1=C(NC=N1)C(=O)NCCNC(=O)C2=C(N=CN2)C(=O)N[C@@H](CC(C)C)C(=O)OCCCC

DOS

IR

Vibrations