Geometry & MOs

Info

ID:	297274
PubChem CID:	117614336
Reduced:	PO10C16H27 (1)
Stoich.:	AB10C16D27 (1)
Weight, g/mol:	510.28422
ΔH_f, kcal/mol:	-489.68
Dipole, Da:	5.4
IP(EA), eV:	-9.39(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-[4-[bis(2-methylpropyl)amino]-3-[[4-(ethoxycarbonylamino)phenyl]carbamoylamino]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCO[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OPO)COC(=O)C

DOS

IR

Vibrations