Geometry & MOs

Info

ID:	177411
PubChem CID:	76182509
Reduced:	SN4O5C17H18 (1)
Stoich.:	AB4C5D17E18 (1)
Weight, g/mol:	212.104859
ΔH_f, kcal/mol:	-78.48
Dipole, Da:	7.48
IP(EA), eV:	-9.78(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(6,6-dimethyl-2,3-dihydropyran-4-yl)-3-hydroxyprop-2-enoate

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2NC(C(C(=O)N2)O)C(=O)NCCC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations