Geometry & MOs

Info

ID:	179646
PubChem CID:	76516031
Reduced:	NPC16O16H29 (1)
Stoich.:	ABC16D16E29 (1)
Weight, g/mol:	559.32102
ΔH_f, kcal/mol:	-720.13
Dipole, Da:	4.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759489
Charge, e:	0

Chem-info

IUPAC name:

1-N-[3-amino-7-(4-fluorophenyl)-5-methyl-6-oxo-1-phenylheptan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)OC2C(C(C(C(C2OP(=O)([O-])OCC(CO)NC=O)O)O)O)O)O)O)O)O

DOS

IR

Vibrations