Geometry & MOs

Info

ID:	123647
PubChem CID:	50857760
Reduced:	SN2O2H18C22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	304.121178
ΔH_f, kcal/mol:	1.74
Dipole, Da:	6.61
IP(EA), eV:	-8.77(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CN1C2=CC=CC=C2)/C=C/3\C(=O)N(C(=O)S3)CC4=CC=CC=C4

DOS

IR

Vibrations