Geometry & MOs

Info

ID:	131617
PubChem CID:	51235937
Reduced:	O2S3N4C15H18 (1)
Stoich.:	A2B3C4D15E18 (1)
Weight, g/mol:	348.107854
ΔH_f, kcal/mol:	-23.16
Dipole, Da:	7.29
IP(EA), eV:	-8.7(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NN=C(S2)SCC(=O)N)C

DOS

IR

Vibrations