Geometry & MOs

Info

ID:	77984
PubChem CID:	49681365
Reduced:	O3S3N6C22H22 (1)
Stoich.:	A3B3C6D22E22 (1)
Weight, g/mol:	414.118418
ΔH_f, kcal/mol:	-8.16
Dipole, Da:	5.86
IP(EA), eV:	-8.77(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methoxyphenyl)ethyl]-3-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C(S3)NC(=O)NCCC4=CC=C(C=C4)OC

DOS

IR

Vibrations