Geometry & MOs

Info

ID:	187810
PubChem CID:	77627609
Reduced:	O4N7C16H25 (1)
Stoich.:	A4B7C16D25 (1)
Weight, g/mol:	630.216651
ΔH_f, kcal/mol:	-113.97
Dipole, Da:	3.96
IP(EA), eV:	-8.79(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-[7-chloro-5-(2,3-diethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]propyl]-1,3-thiazol-5-yl]acetic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=C3C(=NC(=N2)NN)N(C=N3)C4C(C(C(O4)CO)O)O

DOS

IR

Vibrations