Geometry & MOs

Info

ID:

215483

PubChem CID:

85084804

Reduced:

N10O14C43H68 (1)

Stoich.:

A10B14C43D68 (1)

Weight, g/mol:

949.389808

ΔHf, kcal/mol:

-665.62

Dipole, Da:

12.02

IP(EA), eV:

 -9.8(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[[2-[[2,5-bis(phenylmethoxy)benzoyl]amino]-5-[phenylmethoxycarbonyl-(N'-phenylmethoxycarbonylcarbamimidoyl)amino]pentanoyl]amino]-3-hydroxybutanoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=CC=C1)N

DOS

IR

Vibrations