Geometry & MOs

Info

ID:	236173
PubChem CID:	92711820
Reduced:	FOSN2C22H27 (1)
Stoich.:	ABCD2E22F27 (1)
Weight, g/mol:	422.182813
ΔH_f, kcal/mol:	-74.16
Dipole, Da:	6.67
IP(EA), eV:	-8.9(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-3-ethyl-7-(4-fluorophenyl)-2-methyl-N-[(4-methylphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@H]2C3=CC=C(C=C3)F)C(=O)NC4CCCC4)C

DOS

IR

Vibrations