Geometry & MOs

Info

ID:	34833
PubChem CID:	7978983
Reduced:	FNSO4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	403.0354
ΔH_f, kcal/mol:	-162.72
Dipole, Da:	4.73
IP(EA), eV:	-8.84(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-1-methylthiourea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)COC(=O)[C@@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations