Geometry & MOs

Info

ID:	87022
PubChem CID:	49890681
Reduced:	BrNSO4H16C19 (1)
Stoich.:	ABCD4E16F19 (1)
Weight, g/mol:	405.114713
ΔH_f, kcal/mol:	-93.74
Dipole, Da:	6.3
IP(EA), eV:	-8.87(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]-N-(1-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=C(C=C(C=C2Br)/C=C\3/C(=O)NC(=O)S3)OC

DOS

IR

Vibrations