Geometry & MOs

Info

ID:	133103
PubChem CID:	51477397
Reduced:	SN3O3C26H27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	299.134385
ΔH_f, kcal/mol:	-59.78
Dipole, Da:	1.72
IP(EA), eV:	-9.09(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-benzylsulfanyl-N-[(3-methylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NC(=O)CN3C(=O)[C@](NC3=O)(CC)C4=CC=CC=C4

DOS

IR

Vibrations