Geometry & MOs

Info

ID:	133534
PubChem CID:	51542933
Reduced:	O2N3C22H32 (1)
Stoich.:	A2B3C22D32 (1)
Weight, g/mol:	422.141262
ΔH_f, kcal/mol:	-38.18
Dipole, Da:	4.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758212
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-3-naphthalen-1-yloxypropan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)C[NH2+]CCCN3CCOCC3)C

DOS

IR

Vibrations