Geometry & MOs

Info

ID:	38503
PubChem CID:	8136930
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	-138.69
Dipole, Da:	5.71
IP(EA), eV:	-8.72(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[[2-(cyclopropylamino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)NC2CC2

DOS

IR

Vibrations