Geometry & MOs

Info

ID:	79788
PubChem CID:	49830376
Reduced:	FON5H18C22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	401.131031
ΔH_f, kcal/mol:	12.53
Dipole, Da:	2.56
IP(EA), eV:	-8.42(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(16-amino-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-5-yl)-3-(2-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C(C4=NC=CN=C4C=C3)N

DOS

IR

Vibrations