Geometry & MOs

Info

ID:	243555
PubChem CID:	99226762
Reduced:	S2N3O5H17C18 (1)
Stoich.:	A2B3C5D17E18 (1)
Weight, g/mol:	428.158351
ΔH_f, kcal/mol:	-58.64
Dipole, Da:	3.95
IP(EA), eV:	-9.29(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methoxy-2-nitrophenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=CC(=CC(=C3)S(=O)(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations