Geometry & MOs

Info

ID:	323081
PubChem CID:	126672153
Reduced:	FO3N6H19C22 (1)
Stoich.:	AB3C6D19E22 (1)
Weight, g/mol:	170.062618
ΔH_f, kcal/mol:	-37.18
Dipole, Da:	1.28
IP(EA), eV:	-8.64(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]thiourea

Drug info:

PubChemData

Smile

C1CN(CC([C@@H]1O)O)C2=NN(C=C2)C3=CC(=NC4=C3C(=O)NC4)C5=C(C=CC=C5F)C#N

DOS

IR

Vibrations