Geometry & MOs

Info

ID:	157836
PubChem CID:	56437517
Reduced:	O3N5C22H31 (1)
Stoich.:	A3B5C22D31 (1)
Weight, g/mol:	379.141756
ΔH_f, kcal/mol:	-67.59
Dipole, Da:	2.6
IP(EA), eV:	-9.08(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C(=O)CNC(=O)CCC(C)C

DOS

IR

Vibrations