Geometry & MOs

Info

ID:	55643
PubChem CID:	17395714
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	428.074361
ΔH_f, kcal/mol:	5.63
Dipole, Da:	4.22
IP(EA), eV:	-8.58(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[[5-(2-chloroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC3=NOC(=C3)C

DOS

IR

Vibrations