Geometry & MOs

Info

ID:	421288
PubChem CID:	135115724
Reduced:	N5O7C33H45 (1)
Stoich.:	A5B7C33D45 (1)
Weight, g/mol:	355.167811
ΔH_f, kcal/mol:	-259.86
Dipole, Da:	6.57
IP(EA), eV:	-8.6(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]pyrimidin-2-yl]morpholine

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC3=CC4=C(C(=C3)OC)OCO4)C(C)C

DOS

IR

Vibrations