Geometry & MOs

Info

ID:	36775
PubChem CID:	8012547
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-104.54
Dipole, Da:	2.82
IP(EA), eV:	-8.95(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN(C[C@H]2CCCO2)C(=O)CC3=CSC=C3)C

DOS

IR

Vibrations