Geometry & MOs

Info

ID:	243151
PubChem CID:	99216062
Reduced:	SO2N5C27H27 (1)
Stoich.:	AB2C5D27E27 (1)
Weight, g/mol:	364.178693
ΔH_f, kcal/mol:	17.48
Dipole, Da:	10.22
IP(EA), eV:	-8.7(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[[(R)-1-benzofuran-2-yl(phenyl)methyl]amino]-2-oxoethyl]-2-methylbutanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)[C@H]4CSCN4C(=O)C5=CNC6=CC=CC=C65

DOS

IR

Vibrations