Geometry & MOs

Info

ID:	188542
PubChem CID:	77730494
Reduced:	N2O6C27H32 (1)
Stoich.:	A2B6C27D32 (1)
Weight, g/mol:	466.295534
ΔH_f, kcal/mol:	-238.85
Dipole, Da:	5.79
IP(EA), eV:	-8.53(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[1-(1-cyclopropyl-6-fluoro-5,8-dimethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-7-yl)pyrrolidin-3-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

CCC(C(=O)OCCCCNC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations