Geometry & MOs

Info

ID:

190590

PubChem CID:

78025210

Reduced:

Cl2S2N3O3C25H25 (1)

Stoich.:

A2B2C3D3E25F25 (1)

Weight, g/mol:

563.083067

ΔHf, kcal/mol:

-52.94

Dipole, Da:

7.13

IP(EA), eV:

 -8.75(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-[2-[[4-[(3,4-dichlorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C2=CSC(=N2)SCC(=O)NCC3CN(CCO3)CC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations