Geometry & MOs

Info

ID:	448906
PubChem CID:	135294420
Reduced:	SN3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	497.318832
ΔH_f, kcal/mol:	35.89
Dipole, Da:	3.8
IP(EA), eV:	-8.9(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-3-[ethenyl-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)cyclopentyl]amino]-1-(5-methylthiophen-2-yl)propyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1CC2CCC(C1)N2CC[C@@H](C3=CC=CS3)NCCC#N

DOS

IR

Vibrations