Geometry & MOs

Info

ID:	414505
PubChem CID:	135087464
Reduced:	FNO5C16H16 (1)
Stoich.:	ABC5D16E16 (1)
Weight, g/mol:	590.285283
ΔH_f, kcal/mol:	-215.61
Dipole, Da:	4.65
IP(EA), eV:	-9.56(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-11-(3-methyl-4-oxoquinazoline-7-carbonyl)-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)F

DOS

IR

Vibrations