Geometry & MOs

Info

ID:	168996
PubChem CID:	75053227
Reduced:	O7N10C39H56 (1)
Stoich.:	A7B10C39D56 (1)
Weight, g/mol:	355.054611
ΔH_f, kcal/mol:	-267.35
Dipole, Da:	9.39
IP(EA), eV:	-9.27(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[[2-(furan-2-yl)phenyl]methylideneamino]thiourea

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)C#N)NC(=O)C(CC2=CC=CC=C2)N

DOS

IR

Vibrations