Geometry & MOs

Info

ID:	77985
PubChem CID:	49681370
Reduced:	OSN2C10H11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	445.087846
ΔH_f, kcal/mol:	5.16
Dipole, Da:	3.64
IP(EA), eV:	-8.76(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSC2=NN=C(S2)NC(=O)NCCC3=CC=C(C=C3)OC

DOS

IR

Vibrations