Geometry & MOs

Info

ID:	74151
PubChem CID:	48421520
Reduced:	N3O4C16H27 (1)
Stoich.:	A3B4C16D27 (1)
Weight, g/mol:	318.136176
ΔH_f, kcal/mol:	-168.07
Dipole, Da:	3.58
IP(EA), eV:	-9.27(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-1-methyl-3-(1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC(=O)N(C)CC(COCCOC(C)C)O

DOS

IR

Vibrations