Geometry & MOs

Info

ID:	417070
PubChem CID:	135091248
Reduced:	S2O7N8C38H46 (1)
Stoich.:	A2B7C8D38E46 (1)
Weight, g/mol:	374.130028
ΔH_f, kcal/mol:	-206.33
Dipole, Da:	12.51
IP(EA), eV:	-8.39(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=CC=C(S5)C(=O)C)C

DOS

IR

Vibrations