Geometry & MOs

Info

ID:	343272
PubChem CID:	127266445
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	357.151098
ΔH_f, kcal/mol:	-27.53
Dipole, Da:	5.58
IP(EA), eV:	-8.53(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(Z)-(6-oxo-4-propoxycyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-(2-phenylethyl)thiourea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NCC(=O)NN/C=C\2/C=CC=C(C2=O)O

DOS

IR

Vibrations