Geometry & MOs

Info

ID:	36287
PubChem CID:	8001025
Reduced:	OS2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	364.135782
ΔH_f, kcal/mol:	6.78
Dipole, Da:	10.46
IP(EA), eV:	-8.61(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylphenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]thiourea

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=S)NNC(=O)C2=CC3=C(S2)CCCCC3)C

DOS

IR

Vibrations