Geometry & MOs

Info

ID:

189898

PubChem CID:

77921551

Reduced:

N2O3C13H16 (2)

Stoich.:

A2B3C13D16 (2)

Weight, g/mol:

671.371656

ΔHf, kcal/mol:

-212.09

Dipole, Da:

5.0

IP(EA), eV:

 -9.61(-0.71)

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]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C(=O)O)N(C)C(=O)C1=CC(=CC=C1)OCC2CC(CN2C(=O)CCN)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations