Geometry & MOs

Info

ID:	123629
PubChem CID:	50856778
Reduced:	SN3O4H23C25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	451.05315
ΔH_f, kcal/mol:	-85.45
Dipole, Da:	9.47
IP(EA), eV:	-8.65(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methylideneamino]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CN2C(=O)/C(=C/C3=CC=C(N3C4=CC=C(C=C4)OC)C)/SC2=O

DOS

IR

Vibrations