Geometry & MOs

Info

ID:	229753
PubChem CID:	87568799
Reduced:	NOC22H25 (1)
Stoich.:	ABC22D25 (1)
Weight, g/mol:	640.145595
ΔH_f, kcal/mol:	17.65
Dipole, Da:	2.84
IP(EA), eV:	-9.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2S)-2-(benzenesulfonamido)-3-[4-(2-methoxycarbonylphenoxy)butylamino]-3-oxopropyl]phenoxy]-(difluoromethyl)phosphinic acid

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1C(=C)C(=C)[C@@H]2C#N)CCC4=CC(=O)C=C[C@]34C

DOS

IR

Vibrations