Geometry & MOs

Info

ID:	38510
PubChem CID:	8136948
Reduced:	NSCl2O4H17C18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	361.200156
ΔH_f, kcal/mol:	-134.39
Dipole, Da:	4.18
IP(EA), eV:	-9.14(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S,3S)-1-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NCC(=O)OCCSC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations