Geometry & MOs

Info

ID:	321978
PubChem CID:	126667636
Reduced:	N5O21C44H47 (1)
Stoich.:	A5B21C44D47 (1)
Weight, g/mol:	304.066875
ΔH_f, kcal/mol:	-706.08
Dipole, Da:	19.7
IP(EA), eV:	-9.7(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-yl-5-(pentafluoro-lambda6-sulfanyl)aniline

Drug info:

Smile

COC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=C(C(=C2)[N+](=O)[O-])COC3=CC4=C(C=C3)C=C(C(=O)O4)C(=O)NC5CCC(CC5)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

DOS

IR

Vibrations