Geometry & MOs

Info

ID:	36649
PubChem CID:	8010304
Reduced:	NO4C21H25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	337.091869
ΔH_f, kcal/mol:	-123.17
Dipole, Da:	2.6
IP(EA), eV:	-8.7(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C=O)OCC

DOS

IR

Vibrations