Geometry & MOs

Info

ID:	217795
PubChem CID:	85088402
Reduced:	S3N4O4C14H16 (1)
Stoich.:	A3B4C4D14E16 (1)
Weight, g/mol:	400.224974
ΔH_f, kcal/mol:	-79.13
Dipole, Da:	6.92
IP(EA), eV:	-9.09(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=NC(=CS1)C(=CCSC2=CN=NS2)C(=O)O

DOS

IR

Vibrations