Geometry & MOs

Info

ID:	438584
PubChem CID:	135228328
Reduced:	ClSN2C10H15 (1)
Stoich.:	ABC2D10E15 (1)
Weight, g/mol:	344.278741
ΔH_f, kcal/mol:	0.23
Dipole, Da:	2.73
IP(EA), eV:	-8.79(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(4S)-1-[[amino(hydroxy)methyl]amino]-6-methyl-5-oxoheptan-4-yl]-3-methyl-2-(propan-2-ylamino)butanamide

Drug info:

PubChemData

Smile

CC(C)C(C)SC1=C(C(=NC=C1)N)Cl

DOS

IR

Vibrations