Geometry & MOs

Info

ID:

175911

PubChem CID:

75967646

Reduced:

S3N25O26C80H119 (1)

Stoich.:

A3B25C26D80E119 (1)

Weight, g/mol:

400.03585

ΔHf, kcal/mol:

-992.49

Dipole, Da:

32.76

IP(EA), eV:

 -7.56(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2-(4-methoxyphenyl)sulfanyl-3-(5-methylthiophen-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)CC1C(=O)NC(CSCC2=CC3=CC(=C2)CSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSC3)C(=O)N4CCCC4C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CO)CCC(=O)O)CC(=O)O)CC(=O)N)CCCNC(=N)N)CC5=CC=CC=C5)CCCNC(=N)N)CC(=O)O)CO)NC(=O)C(C)N)C(=O)NCC(=O)N

DOS

IR

Vibrations