Geometry & MOs

Info

ID:

189900

PubChem CID:

77921553

Reduced:

N3O4C30H33 (1)

Stoich.:

A3B4C30D33 (1)

Weight, g/mol:

623.371656

ΔHf, kcal/mol:

-115.4

Dipole, Da:

7.06

IP(EA), eV:

 -9.17(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-[1-methoxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]pentanoate

Drug info:

PubChemData

Smile

CN1CCCC(C(=O)N2CCCC2COC3=CC=CC(=C3)C1=O)NC(=O)CC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations