Geometry & MOs

Info

ID:	324282
PubChem CID:	126677313
Reduced:	ClPO4N6C37H46 (1)
Stoich.:	ABC4D6E37F46 (1)
Weight, g/mol:	184.067034
ΔH_f, kcal/mol:	-124.12
Dipole, Da:	8.13
IP(EA), eV:	-8.66(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E,4E)-4-hydroxyhepta-2,4,6-trien-3-yl]thiourea

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)C2CN(CC(O2)COP(N3CCN(CC3)CCN(C)C)Cl)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations