Geometry & MOs

Info

ID:	43335
PubChem CID:	10321146
Reduced:	N8C25H30 (1)
Stoich.:	A8B25C30 (1)
Weight, g/mol:	442.203862
ΔH_f, kcal/mol:	118.2
Dipole, Da:	3.31
IP(EA), eV:	-8.41(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(1S)-1-(2-cyano-1,3-thiazol-4-yl)-3-methylbutyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=C(N3C=CC=CC3=N2)C4=NC(=NC=C4)NCCCN5CCN(CC5)C

DOS

IR

Vibrations