Geometry & MOs

Info

ID:	442821
PubChem CID:	135256430
Reduced:	ClN4H13C14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	483.248169
ΔH_f, kcal/mol:	73.34
Dipole, Da:	1.14
IP(EA), eV:	-9.35(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-1-[8-[2-methyl-4-[[(2R)-2-methylbut-3-enoyl]amino]pyrazol-3-yl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl]but-3-enyl]carbamate

Drug info:

PubChemData

Smile

CC(C)NC1=NC(=CC(=N1)Cl)C2=CC=CC(=C2)C#N

DOS

IR

Vibrations