Geometry & MOs

Info

ID:	235063
PubChem CID:	92303970
Reduced:	SN2O2H22C24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	409.112999
ΔH_f, kcal/mol:	-20.11
Dipole, Da:	2.82
IP(EA), eV:	-8.92(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[[5-[(4-butoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@H](SCC2=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4C

DOS

IR

Vibrations