Geometry & MOs

Info

ID:	132215
PubChem CID:	51322845
Reduced:	SN3O4C17H17 (1)
Stoich.:	AB3C4D17E17 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-101.0
Dipole, Da:	1.45
IP(EA), eV:	-9.13(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-[[2-(benzotriazol-1-yl)acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)N2CCC3=C(C2)C=CS3)C4=CC=CO4

DOS

IR

Vibrations