Geometry & MOs

Info

ID:	46463
PubChem CID:	10524514
Reduced:	SN5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	391.093498
ΔH_f, kcal/mol:	92.84
Dipole, Da:	5.16
IP(EA), eV:	-8.76(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-(2-chloroethyl) 3-O-methyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCC(C)SC1=NN=C(N1C2=CC=C(C=C2)C)CN3C(=NC4=CC=CC=C43)C

DOS

IR

Vibrations