Geometry & MOs

Info

ID:	362579
PubChem CID:	127308311
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	356.167083
ΔH_f, kcal/mol:	-81.53
Dipole, Da:	3.66
IP(EA), eV:	-8.5(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-1-(cyclopropylmethyl)-3-[4-(thiadiazol-4-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)NC3=CC=CC=C3OCC4CCCCO4

DOS

IR

Vibrations