Geometry & MOs

Info

ID:	308100
PubChem CID:	125316934
Reduced:	N5O5C17H19 (1)
Stoich.:	A5B5C17D19 (1)
Weight, g/mol:	433.200156
ΔH_f, kcal/mol:	-95.26
Dipole, Da:	4.47
IP(EA), eV:	-9.76(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-2,3-dihydropyridin-1-yl]-N-[2-(2H-indol-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN[C@H]2N=C3C(=NC=NC3=O)N2[C@H]4[C@H]([C@@H]([C@H](O4)CO)O)O

DOS

IR

Vibrations