Geometry & MOs

Info

ID:	445294
PubChem CID:	135265908
Reduced:	OSF2N2C13H16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	563.299536
ΔH_f, kcal/mol:	-105.29
Dipole, Da:	2.73
IP(EA), eV:	-9.28(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[1-(3-butan-2-yloxy-4-hydroxycyclohexa-1,3-dien-1-yl)ethenylamino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

CCCC(=O)C1=NC(=CS1)C(=C)N2CCC(C2)(F)F

DOS

IR

Vibrations