Geometry & MOs

Info

ID:	245662
PubChem CID:	99456552
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	496.214427
ΔH_f, kcal/mol:	-128.31
Dipole, Da:	5.27
IP(EA), eV:	-8.42(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[C@H](C)NC(=O)COC2=CC3=C(CCC3)C=C2)OC

DOS

IR

Vibrations