Geometry & MOs

Info

ID:	218791
PubChem CID:	85089975
Reduced:	PN5O12C16H24 (1)
Stoich.:	AB5C12D16E24 (1)
Weight, g/mol:	509.192626
ΔH_f, kcal/mol:	-522.37
Dipole, Da:	1.76
IP(EA), eV:	-9.14(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(8-fluoro-1-methyl-2-oxo-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl)propanamide

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OP(=O)(O)O)O)O)O)N

DOS

IR

Vibrations