Geometry & MOs

Info

ID:	157864
PubChem CID:	56437642
Reduced:	NOC5H7 (4)
Stoich.:	ABC5D7 (4)
Weight, g/mol:	370.207885
ΔH_f, kcal/mol:	-159.46
Dipole, Da:	3.94
IP(EA), eV:	-9.51(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)CCC(=O)NCC(=O)NN1C(=O)C(NC1=O)(C)CCC2=CC=CC=C2

DOS

IR

Vibrations