Geometry & MOs

Info

ID:	188664
PubChem CID:	77751391
Reduced:	SO2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	379.247107
ΔH_f, kcal/mol:	-18.76
Dipole, Da:	1.49
IP(EA), eV:	-8.87(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-amino-6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-6-oxohexyl]carbamate

Drug info:

PubChemData

Smile

CCCC1=C(C(=C2C=NNC2=N1)C3=C(C=CS3)C)C(=O)O

DOS

IR

Vibrations