Geometry & MOs

Info

ID:	436612
PubChem CID:	135206095
Reduced:	ClN2O6C25H29 (1)
Stoich.:	AB2C6D25E29 (1)
Weight, g/mol:	467.064187
ΔH_f, kcal/mol:	-183.0
Dipole, Da:	7.86
IP(EA), eV:	-8.69(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxycarbonyloxyethyl (1Z)-2-chloro-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzenecarboximidate

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2=C(C=C(C=C2)Cl)C3=CC(=O)N(C=C3OC)C(CCOC)C(=O)OC(C)(C)C

DOS

IR

Vibrations