Geometry & MOs

Info

ID:	433110
PubChem CID:	135173247
Reduced:	N3O4C21H29 (2)
Stoich.:	A3B4C21D29 (2)
Weight, g/mol:	382.156243
ΔH_f, kcal/mol:	-356.9
Dipole, Da:	2.46
IP(EA), eV:	-8.62(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C[C@H]([C@H]1C(=O)NC(C(=O)NC(C(=O)NCCCC(=O)NC(C(=O)N1)C(C)C)CC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)CC4=CC=CC=C4)OC(C)(C)C

DOS

IR

Vibrations