Geometry & MOs

Info

ID:	146948
PubChem CID:	53776069
Reduced:	N4O4C29H44 (1)
Stoich.:	A4B4C29D44 (1)
Weight, g/mol:	634.12372
ΔH_f, kcal/mol:	-202.41
Dipole, Da:	5.22
IP(EA), eV:	-8.04(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(3R)-4-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-3-(oxan-2-yloxycarbamoyl)piperazin-1-yl]sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3CCCCCCCCCCCNC(=O)C(CC2=C3)NC(=O)C(C)NC(C)C(=O)O

DOS

IR

Vibrations