Geometry & MOs

Info

ID:	187552
PubChem CID:	77590174
Reduced:	SO5N6C28H42 (1)
Stoich.:	AB5C6D28E42 (1)
Weight, g/mol:	514.03735
ΔH_f, kcal/mol:	-195.95
Dipole, Da:	2.34
IP(EA), eV:	-8.5(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(5-bromothiophen-2-yl)-3-[[6-[(3,4-difluorophenyl)methyl]-2-oxopiperidine-3-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCCN1CCNC(C1=O)C(C(CC2=CC=CC=C2)NC(=O)C3=CC(=NC(=C3)N(C)S(=O)(=O)C)NC(C)CC)O

DOS

IR

Vibrations