Geometry & MOs

Info

ID:	133098
PubChem CID:	51477392
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	299.134385
ΔH_f, kcal/mol:	-167.21
Dipole, Da:	2.73
IP(EA), eV:	-8.75(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations