Geometry & MOs

Info

ID:	49324
PubChem CID:	11532841
Reduced:	OF4N5H17C24 (1)
Stoich.:	AB4C5D17E24 (1)
Weight, g/mol:	467.113747
ΔH_f, kcal/mol:	-126.29
Dipole, Da:	4.11
IP(EA), eV:	-8.81(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(anthracen-9-ylmethyl)-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2F)C(F)(F)F)NC3=C(C=CC=N3)C4=NC=NC=C4

DOS

IR

Vibrations