Geometry & MOs

Info

ID:	242909
PubChem CID:	99214112
Reduced:	SO2N3C27H33 (1)
Stoich.:	AB2C3D27E33 (1)
Weight, g/mol:	458.06636
ΔH_f, kcal/mol:	-41.09
Dipole, Da:	2.62
IP(EA), eV:	-8.69(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(5-bromothiophen-3-yl)methyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)N1CCCN(CC1)CC2=CC=CS2)NC(=O)CC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations