Geometry & MOs

Info

ID:	297565
PubChem CID:	117621897
Reduced:	SO3N4C26H36 (1)
Stoich.:	AB3C4D26E36 (1)
Weight, g/mol:	407.216869
ΔH_f, kcal/mol:	-107.74
Dipole, Da:	9.08
IP(EA), eV:	-8.48(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[[1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]amino]-3-(1-methylcyclobutyl)-1-oxopropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(CNC(=O)N(C2CCCCC2)C3CCCCC3)C4=CN=CS4

DOS

IR

Vibrations