Geometry & MOs

Info

ID:	46337
PubChem CID:	10523940
Reduced:	BrFNOSC17H17 (1)
Stoich.:	ABCDEF17G17 (1)
Weight, g/mol:	382.092988
ΔH_f, kcal/mol:	-45.79
Dipole, Da:	3.29
IP(EA), eV:	-9.1(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methoxy-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]phosphinic acid

Drug info:

PubChemData

Smile

C1[C@@H]2CC3(C[C@@H](C24ON=C(S4)C5=CC=C(C=C5)Br)CC1C3)F

DOS

IR

Vibrations