Geometry & MOs

Info

ID:	170175
PubChem CID:	75205101
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	437.120941
ΔH_f, kcal/mol:	-40.48
Dipole, Da:	4.06
IP(EA), eV:	-9.28(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)C=CC2=CC=C(C=C2)C(=O)NC3CC3

DOS

IR

Vibrations