Geometry & MOs

Info

ID:	306093
PubChem CID:	125001630
Reduced:	O2S2N4C17H24 (1)
Stoich.:	A2B2C4D17E24 (1)
Weight, g/mol:	422.206639
ΔH_f, kcal/mol:	-38.56
Dipole, Da:	4.37
IP(EA), eV:	-9.42(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(6S)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]-5-methyl-1H-indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC1=NC=C(S1)C2=CN=CC(=N2)[C@H]3CCCN(C3)S(=O)(=O)C

DOS

IR

Vibrations