Geometry & MOs

Info

ID:	170158
PubChem CID:	75205084
Reduced:	SN2O4C23H24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	407.110376
ΔH_f, kcal/mol:	-128.21
Dipole, Da:	5.92
IP(EA), eV:	-8.86(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCCC(=O)NCCN2C(=O)C(=CC3=CC=CC=C3)SC2=O)C

DOS

IR

Vibrations