Geometry & MOs

Info

ID:	236046
PubChem CID:	92711417
Reduced:	BrOSN2C24H25 (1)
Stoich.:	ABCD2E24F25 (1)
Weight, g/mol:	468.0871
ΔH_f, kcal/mol:	11.21
Dipole, Da:	5.5
IP(EA), eV:	-8.95(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@@H]2C3=CC=CC=C3)CC(=O)NC4=CC(=CC=C4)Br)C

DOS

IR

Vibrations