Geometry & MOs

Info

ID:

164044

PubChem CID:

74381630

Reduced:

O10N15C48H73 (1)

Stoich.:

A10B15C48D73 (1)

Weight, g/mol:

511.044268

ΔHf, kcal/mol:

-415.29

Dipole, Da:

8.22

IP(EA), eV:

 -8.64(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-oxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCNC(=NC)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)NNC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)O)NC(=O)C(CC(=O)N)NC(=O)CCCCCN

DOS

IR

Vibrations