Geometry & MOs

Info

ID:	303457
PubChem CID:	124489741
Reduced:	NPSCl3O4H13C18 (1)
Stoich.:	ABCD3E4F13G18 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-177.82
Dipole, Da:	5.58
IP(EA), eV:	-8.93(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3R)-3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)C(=CS2)[C@H](C(=O)N/C=C\C3=CC(=CC(=C3)Cl)Cl)P(=O)(O)O

DOS

IR

Vibrations